./iterations/neb0_image08_iter173_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.373780198843E+03 0.37378E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.265368535763E+01 -0.37113E+03 -0.35973E+03 871 0.196E+02
DAV: 3 -0.967346800423E+02 -0.99388E+02 -0.99087E+02 669 0.116E+02
DAV: 4 -0.101219624356E+03 -0.44849E+01 -0.44733E+01 712 0.284E+01
DAV: 5 -0.101308822109E+03 -0.89198E-01 -0.89147E-01 712 0.361E+00 0.227E+01
DAV: 6 -0.926486327954E+02 0.86602E+01 -0.30948E+01 722 0.300E+01 0.119E+01
DAV: 7 -0.917855922521E+02 0.86304E+00 -0.17165E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914115290570E+02 0.37406E+00 -0.54728E-01 720 0.398E+00 0.161E+00
DAV: 9 -0.913320560845E+02 0.79473E-01 -0.12925E-01 720 0.154E+00 0.420E-01
DAV: 10 -0.913239480355E+02 0.81080E-02 -0.43196E-02 760 0.108E+00 0.297E-01
DAV: 11 -0.913286598739E+02 -0.47118E-02 -0.12442E-02 608 0.580E-01 0.141E-01
DAV: 12 -0.913315750347E+02 -0.29152E-02 -0.26832E-03 633 0.254E-01 0.945E-02
DAV: 13 -0.913349304200E+02 -0.33554E-02 -0.13128E-03 631 0.178E-01 0.476E-02
DAV: 14 -0.913387392779E+02 -0.38089E-02 -0.11869E-03 765 0.241E-01 0.516E-02
DAV: 15 -0.913393867915E+02 -0.64751E-03 -0.29509E-04 712 0.114E-01 0.377E-02
DAV: 16 -0.913402537168E+02 -0.86693E-03 -0.23647E-04 765 0.878E-02 0.142E-02
DAV: 17 -0.913411970000E+02 -0.94328E-03 -0.12431E-04 653 0.528E-02 0.153E-02
DAV: 18 -0.913414452735E+02 -0.24827E-03 -0.20601E-05 576 0.213E-02 0.115E-02
DAV: 19 -0.913415969122E+02 -0.15164E-03 -0.44821E-05 629 0.381E-02 0.553E-03
DAV: 20 -0.913416125896E+02 -0.15677E-04 -0.36856E-06 520 0.135E-02 0.430E-03
DAV: 21 -0.913416289252E+02 -0.16336E-04 -0.44415E-06 407 0.122E-02 0.121E-03
DAV: 22 -0.913416380566E+02 -0.91314E-05 -0.14570E-06 448 0.550E-03
1 F= -.91341638E+02 E0= -.91346802E+02 d E =0.154926E-01